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Chemical ID: 4713835
Chemical ID:
4713835
Name [?]:
2-chloro-5-(3-chlorophenyl)-pyridine-3-carbonitrile
SMILES [?]:
c1cc(cc(c1)Cl)c2cc(c(nc2)Cl)C#N
InChi [?]:
InChI=1/C12H6Cl2N2/c13-11-3-1-2-8(5-11)10-4-9(6-15)12(14)16-7-10/h1-5,7H
InChi Info:
AuxInfo=1/0/N:1,2,6,9,4,15,13,3,10,8,5,11,7,14,16,12/rA:16nCCCCCCClCCCCNCClCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d11;d8s12;s11;s10;t15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6Cl2N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04969 |
Area: | 429.174 |
Solvation: | -1.67966 |
Coulombic: | -10.7086 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 249.095 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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